2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C18H18BrN3O MolecularWeight: 372.25902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCCC3)N)C#N)Br

InChI

InChI=1S/C18H18BrN3O/c1-23-16-8-7-11(9-14(16)19)17-12-5-3-2-4-6-15(12)22-18(21)13(17)10-20/h7-9H,2-6H2,1H3,(H2,21,22)